(2,3-dimethoxyphenyl)-morpholin-4-ylmethanone

C13H17NO4 — CID 2950467

IUPAC(2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1cccc(C(=O)N2CCOCC2)c1OC
InChIInChI=1S/C13H17NO4/c1-16-11-5-3-4-10(12(11)17-2)13(15)14-6-8-18-9-7-14/h3-5H,6-9H2,1-2H3
InChIKeySMQGDRVMPDUILF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.18
Rot. Bonds3

About (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone

(2,3-dimethoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 2950467) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
PubChem CID2950467
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1cccc(C(=O)N2CCOCC2)c1OC
InChIInChI=1S/C13H17NO4/c1-16-11-5-3-4-10(12(11)17-2)13(15)14-6-8-18-9-7-14/h3-5H,6-9H2,1-2H3
InChIKeySMQGDRVMPDUILF-UHFFFAOYSA-N
XLogP1.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone (CID 2950467) is (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone is COc1cccc(C(=O)N2CCOCC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is SMQGDRVMPDUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-11-5-3-4-10(12(11)17-2)13(15)14-6-8-18-9-7-14/h3-5H,6-9H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
(2,3-dimethoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 251.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2950467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).